SCHEMBL8033942

SCHEMBL8033942

COC(=O)Cc1cccc(NC(=O)NCC(=O)N(CC(=O)N(C)c2ccccc2)c2cccc(OCC(=O)N(C)c3cccc(C)c3)c2)c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MAPK1 P28482 2/20 0.39
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 3/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RECQL P46063 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8036207 0.95 GRM5 (0.38) KMT2AMAPK1MAPTLMNAMEN1
SCHEMBL8031875 0.94 MAPK1 (0.40) KMT2AMAPK1MAPTLMNAMEN1
SCHEMBL27473598 0.93 MAPT (0.38) KMT2AMAPK1MAPTLMNAMEN1
SCHEMBL8029983 0.92 SMN1; SMN2 (0.36) KMT2AMAPK1MEN1HTTNPC1
SCHEMBL8030634 0.92 KMT2A (0.36) KMT2AMAPK1MAPTLMNAMEN1
SCHEMBL8020564 0.92 KDM4E (0.37) KMT2AMAPTMEN1HTTNPC1
SCHEMBL8034026 0.91 MAPK1 (0.47) KMT2AMAPK1MEN1HTTNPC1
SCHEMBL8020806 0.91 POLQ (0.37) KMT2AMAPK1MAPTMEN1HTT
SCHEMBL8020589 0.91 SMN1; SMN2 (0.35) KMT2AMAPK1MEN1HTTNPC1
SCHEMBL8031924 0.90 KMT2A (0.35) KMT2AMEN1HTTNPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0985660-A1 AMINOPHENOL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed